HRID210639

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID8857

Ethyl acetate

C4H8O2

HCID11344959

5-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole

C13H13FN2

结构：Cc1ccc(S(=O)(=O)OCC2COc3ccc4c(c3O2)CCCO4)cc1

HCID18546013

未命名化合物

PRODUCTS

生成物

结构：Fc1ccc2[nH]cc(C3=CCN(CC4COc5ccc6c(c5O4)CCCO6)CC3)c2c1

HCID10295641

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0aaac61ae87841b0b3e9ef33545629f4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:1][c:2]1[cH:3][cH:4][c:5]([S:6]([O:7][CH2:12][CH:13]2[CH2:14][O:15][c:16]3[c:17]([c:18]4[c:23]([cH:24][cH:25]3)[O:22][CH2:21][CH2:20][CH2:19]4)[O:26]2)(=[O:8])=[O:9])[cH:10][cH:11]1.[CH3:43][CH2:44][O:45][C:46](=[O:47])[CH3:48].[CH3:49][S:50]([CH3:51])=[O:52].[F:27][c:28]1[cH:29][c:30]2[c:31]([C:37]3=[CH:42][CH2:41][NH:40][CH2:39][CH2:38]3)[cH:32][nH:33][c:34]2[cH:35][cH:36]1>>[CH2:12]([CH:13]1[CH2:14][O:15][c:16]2[c:17]([c:18]3[c:23]([cH:24][cH:25]2)[O:22][CH2:21][CH2:20][CH2:19]3)[O:26]1)[N:40]1[CH2:39][CH2:38][C:37]([c:31]2[c:30]3[cH:29][c:28]([F:27])[cH:36][cH:35][c:34]3[nH:33][cH:32]2)=[CH:42][CH2:41]1